1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone

C15H16N4O — CID 133469730

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
SMILESCc1cncc(NCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C15H16N4O/c1-11-8-16-9-14(18-11)17-10-15(20)19-7-6-12-4-2-3-5-13(12)19/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyKCOGPUUDUYZJPM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.79
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone (PubChem CID 133469730) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
PubChem CID133469730
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
SMILESCc1cncc(NCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C15H16N4O/c1-11-8-16-9-14(18-11)17-10-15(20)19-7-6-12-4-2-3-5-13(12)19/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyKCOGPUUDUYZJPM-UHFFFAOYSA-N
XLogP1.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
CID 133284170
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone (CID 133469730) is 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone is Cc1cncc(NCC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone?
The InChIKey is KCOGPUUDUYZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-8-16-9-14(18-11)17-10-15(20)19-7-6-12-4-2-3-5-13(12)19/h2-5,8-9H,6-7,10H2,1H3,(H,17,18).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone has a molecular weight of 268.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 133469730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).